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N-Acetyl-L-aspartic acid - ≥99.0% (T), high purity , CAS No.997-55-7
Basic Description
Synonyms
Ac-Asp-OH | (2S)-2-acetamidobutanedioic acid | N-acetyl-s-aspartic acid | (S)-2-Acetamidosuccinic acid | (S)-2-Acetamidosuccinate | Acetyl aspartic acid | CAS-997-55-7
Specifications & Purity
≥99%(T)
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Application
N -Acetyl-L-aspartic acid can be used as a reactant to synthesize: Protected homoserine γ-lactones by selective reduction and acid-catalyzed cyclization reaction. Racemic amino substituted succinimide derivatives via cyclocondensation reaction.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 00920.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit .com/metlin. Review; acetyl donor in acetylcholine formation in brain.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Aspartic acid and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
N-acetyl-L-amino acid - N-acyl-L-aspartic acid
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2S)-2-acetamidobutanedioic acid
INCHI
InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
InChIKey
OTCCIMWXFLJLIA-BYPYZUCNSA-N
Smiles
CC(=O)NC(CC(=O)O)C(=O)O
Isomeric SMILES
CC(=O)N[C@@H](CC(=O)O)C(=O)O
Molecular Weight
175.14
Reaxy-Rn
1726197
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726197&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air sensitive，heat sensitive
Flash Point(°C)
211℃
Boil Point(°C)
425.3℃ at 760 mmHg
Melt Point(°C)
137-140℃
Molecular Weight
175.140 g/mol
XLogP3
-1.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
175.048 Da
Monoisotopic Mass
175.048 Da
Topological Polar Surface Area
104.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
212.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Ruixue Wang,Lianyun Lin,Yiqiang Zheng,Peng Cao,Zhiguang Yuchi,Hui-Yuan Wu.
(2020-10-24)
Identification of 2-PMPA as a novel inhibitor of cytosolic carboxypeptidases.. Biochemical and biophysical research communications,
533
((4)):
(1393-1399).
2.
Fen Xiong, Kaiyuan Jiang, Yali Wu, Cong Lou, Chengjie Ding, Wenli Zhang, Xi Zhang, Chen Li, Hong Zheng, Hongchang Gao.
(2023)
Intermittent fasting alleviates type 1 diabetes-induced cognitive dysfunction by improving the frontal cortical metabolic disorder. BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE,
1869
(166725).
3.
Yuting Li, Xiaotong Li, Jinshun Ye, Zhenzhao Weng, Xiaozhen Liu, Fengyuan Liu, Jingkun Yan, Lin Li.
(2024)
Reactivity of amino acid residues towards 4-methylbenzoquinone: Effect on the site-specificity of quinone-protein reaction. LWT-FOOD SCIENCE AND TECHNOLOGY,
200
(116217).
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3 Citations
E2413080